SCHEMBL4032992

SCHEMBL4032992

Cc1nc(NC(=O)NCC(C)C(=O)OC(C)(C)C)sc1-c1cccc(S(=O)(=O)CF)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.49
PIK3CA P42336 8/20 0.49
PIK3CB P42338 8/20 0.49
PIK3CG P48736 8/20 0.49
PI4KB Q9UBF8 12/20 0.45
XIAP P98170 1/20 0.40
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
PIK3C2A O00443 1/20 0.38
PIK3C2B O00750 1/20 0.38
DYRK3 O43781 1/20 0.38
MAP4K4 O95819 1/20 0.38
CDK9 P50750 1/20 0.38
MAP4K2 Q12851 1/20 0.38
STK17A Q9UEE5 1/20 0.38
IDH2 P48735 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1789684 0.82 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL2073010 0.71 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL48707 0.70 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL5063157 0.68 GPR52 (0.41) PIK3CDPIK3CAPIK3CBPIK3CGXIAP
SCHEMBL48602 0.68 PIK3CD (0.55) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL1787124 0.68 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL1786067 0.68 PIK3CD (0.85) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL1784035 0.68 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL5063159 0.68 CCNT1 (0.43) PIK3CACDK9
SCHEMBL5785803 0.68 PIK3CG (0.70) PIK3CDPIK3CAPIK3CBPIK3CGPI4KB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689391-B1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES NOVARTIS AG (CH) 2009-04-22 EP disclosed